HRID164547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID53216768

2-[2-(Difluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C13H17BF2O3

HCID59836134

5-Bromo-3-iodo-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-pyrazolo[3,4-b]pyridine

C12H17BrIN3OSi

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1nc(-c2ccccc2OC(F)F)c2cc(Br)cnc21

HCID57975829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9645f460f50b4f18a14b0f2715c3c29c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:20][c:21]1[cH:22][c:23]2[c:24]([n:25][cH:26]1)[n:27]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[n:28][c:29]2[I:30].[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:45][C:46]#[N:47].[F:1][CH:2]([O:3][c:4]1[c:5]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:6][cH:7][cH:8][cH:9]1)[F:19].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44]>>[F:1][CH:2]([O:3][c:4]1[c:5](-[c:29]2[c:23]3[cH:22][c:21]([Br:20])[cH:26][n:25][c:24]3[n:27]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[n:28]2)[cH:6][cH:7][cH:8][cH:9]1)[F:19]